Compound Identification
SMILES
CN1CCN(CC1)C1=CC=CC=C1NC(=S)NC(=O)C=CC1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=UXFRKFCJIUOEGU-UHFFFAOYSA-N
Formula
C21H22Cl2N4OS
Mass
449.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
Phenylpiperazines N-arylpiperazines Cinnamic acids and derivatives Styrenes Aniline and substituted anilines Dichlorobenzenes Dialkylarylamines N-methylpiperazines Aryl chlorides Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Phenylpiperazine - N-arylpiperazine - Aniline or substituted anilines - Dialkylarylamine - 1,3-dichlorobenzene - Styrene - Tertiary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Aryl chloride - Aryl halide - Piperazine - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Tertiary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available